id	sid	tid	token	lemma	pos
1z40ks67c0v	1	1	because	because	SCONJ
1z40ks67c0v	1	2	of	of	ADP
1z40ks67c0v	1	3	its	its	PRON
1z40ks67c0v	1	4	importance	importance	NOUN
1z40ks67c0v	1	5	as	as	ADP
1z40ks67c0v	1	6	a	a	DET
1z40ks67c0v	1	7	solvent	solvent	NOUN
1z40ks67c0v	1	8	and	and	CCONJ
1z40ks67c0v	1	9	its	its	PRON
1z40ks67c0v	1	10	many	many	ADJ
1z40ks67c0v	1	11	unique	unique	ADJ
1z40ks67c0v	1	12	properties	property	NOUN
1z40ks67c0v	1	13	,	,	PUNCT
1z40ks67c0v	1	14	water	water	NOUN
1z40ks67c0v	1	15	is	be	AUX
1z40ks67c0v	1	16	a	a	DET
1z40ks67c0v	1	17	widely	widely	ADV
1z40ks67c0v	1	18	studied	study	VERB
1z40ks67c0v	1	19	substance	substance	NOUN
1z40ks67c0v	1	20	.	.	PUNCT
1z40ks67c0v	2	1	computational	computational	ADJ
1z40ks67c0v	2	2	modeling	modeling	NOUN
1z40ks67c0v	2	3	can	can	AUX
1z40ks67c0v	2	4	bring	bring	VERB
1z40ks67c0v	2	5	insight	insight	NOUN
1z40ks67c0v	2	6	to	to	ADP
1z40ks67c0v	2	7	detailed	detailed	ADJ
1z40ks67c0v	2	8	mechanisms	mechanism	NOUN
1z40ks67c0v	2	9	of	of	ADP
1z40ks67c0v	2	10	the	the	DET
1z40ks67c0v	2	11	interactions	interaction	NOUN
1z40ks67c0v	2	12	of	of	ADP
1z40ks67c0v	2	13	water	water	NOUN
1z40ks67c0v	2	14	with	with	ADP
1z40ks67c0v	2	15	itself	itself	PRON
1z40ks67c0v	2	16	or	or	CCONJ
1z40ks67c0v	2	17	other	other	ADJ
1z40ks67c0v	2	18	chemicals	chemical	NOUN
1z40ks67c0v	2	19	.	.	PUNCT
1z40ks67c0v	3	1	the	the	DET
1z40ks67c0v	3	2	accuracy	accuracy	NOUN
1z40ks67c0v	3	3	of	of	ADP
1z40ks67c0v	3	4	simulations	simulation	NOUN
1z40ks67c0v	3	5	of	of	ADP
1z40ks67c0v	3	6	aqueous	aqueous	ADJ
1z40ks67c0v	3	7	systems	system	NOUN
1z40ks67c0v	3	8	are	be	AUX
1z40ks67c0v	3	9	limited	limit	VERB
1z40ks67c0v	3	10	by	by	ADP
1z40ks67c0v	3	11	the	the	DET
1z40ks67c0v	3	12	accuracy	accuracy	NOUN
1z40ks67c0v	3	13	of	of	ADP
1z40ks67c0v	3	14	the	the	DET
1z40ks67c0v	3	15	water	water	NOUN
1z40ks67c0v	3	16	model	model	NOUN
1z40ks67c0v	3	17	used	use	VERB
1z40ks67c0v	3	18	.	.	PUNCT
1z40ks67c0v	4	1	a	a	DET
1z40ks67c0v	4	2	wide	wide	ADJ
1z40ks67c0v	4	3	range	range	NOUN
1z40ks67c0v	4	4	of	of	ADP
1z40ks67c0v	4	5	empirical	empirical	ADJ
1z40ks67c0v	4	6	models	model	NOUN
1z40ks67c0v	4	7	which	which	PRON
1z40ks67c0v	4	8	accurately	accurately	ADV
1z40ks67c0v	4	9	reproduce	reproduce	VERB
1z40ks67c0v	4	10	bulk	bulk	ADJ
1z40ks67c0v	4	11	water	water	NOUN
1z40ks67c0v	4	12	have	have	AUX
1z40ks67c0v	4	13	been	be	AUX
1z40ks67c0v	4	14	developed	develop	VERB
1z40ks67c0v	4	15	,	,	PUNCT
1z40ks67c0v	4	16	but	but	CCONJ
1z40ks67c0v	4	17	are	be	AUX
1z40ks67c0v	4	18	limited	limit	VERB
1z40ks67c0v	4	19	to	to	ADP
1z40ks67c0v	4	20	nonreactive	nonreactive	ADJ
1z40ks67c0v	4	21	systems	system	NOUN
1z40ks67c0v	4	22	.	.	PUNCT
1z40ks67c0v	5	1	ab	ab	PROPN
1z40ks67c0v	5	2	initio	initio	NOUN
1z40ks67c0v	5	3	models	model	NOUN
1z40ks67c0v	5	4	can	can	AUX
1z40ks67c0v	5	5	accurately	accurately	ADV
1z40ks67c0v	5	6	reproduce	reproduce	VERB
1z40ks67c0v	5	7	water	water	NOUN
1z40ks67c0v	5	8	properties	property	NOUN
1z40ks67c0v	5	9	,	,	PUNCT
1z40ks67c0v	5	10	including	include	VERB
1z40ks67c0v	5	11	reactions	reaction	NOUN
1z40ks67c0v	5	12	,	,	PUNCT
1z40ks67c0v	5	13	but	but	CCONJ
1z40ks67c0v	5	14	are	be	AUX
1z40ks67c0v	5	15	limited	limit	VERB
1z40ks67c0v	5	16	to	to	ADP
1z40ks67c0v	5	17	small	small	ADJ
1z40ks67c0v	5	18	systems	system	NOUN
1z40ks67c0v	5	19	.	.	PUNCT
1z40ks67c0v	6	1	semiempirical	semiempirical	ADJ
1z40ks67c0v	6	2	models	model	NOUN
1z40ks67c0v	6	3	can	can	AUX
1z40ks67c0v	6	4	access	access	VERB
1z40ks67c0v	6	5	larger	large	ADJ
1z40ks67c0v	6	6	systems	system	NOUN
1z40ks67c0v	6	7	and	and	CCONJ
1z40ks67c0v	6	8	include	include	VERB
1z40ks67c0v	6	9	reactions	reaction	NOUN
1z40ks67c0v	6	10	,	,	PUNCT
1z40ks67c0v	6	11	but	but	CCONJ
1z40ks67c0v	6	12	the	the	DET
1z40ks67c0v	6	13	transferability	transferability	NOUN
1z40ks67c0v	6	14	of	of	ADP
1z40ks67c0v	6	15	the	the	DET
1z40ks67c0v	6	16	models	model	NOUN
1z40ks67c0v	6	17	is	be	AUX
1z40ks67c0v	6	18	limited	limit	VERB
1z40ks67c0v	6	19	by	by	ADP
1z40ks67c0v	6	20	the	the	DET
1z40ks67c0v	6	21	parameterization	parameterization	NOUN
1z40ks67c0v	6	22	.	.	PUNCT
1z40ks67c0v	7	1	the	the	DET
1z40ks67c0v	7	2	self	self	NOUN
1z40ks67c0v	7	3	-	-	PUNCT
1z40ks67c0v	7	4	consistent	consistent	ADJ
1z40ks67c0v	7	5	charge	charge	NOUN
1z40ks67c0v	7	6	density	density	NOUN
1z40ks67c0v	7	7	functional	functional	ADJ
1z40ks67c0v	7	8	tight	tight	ADJ
1z40ks67c0v	7	9	binding	bind	VERB
1z40ks67c0v	7	10	(	(	PUNCT
1z40ks67c0v	7	11	scc	scc	NOUN
1z40ks67c0v	7	12	-	-	PUNCT
1z40ks67c0v	7	13	dftb	dftb	NOUN
1z40ks67c0v	7	14	)	)	PUNCT
1z40ks67c0v	7	15	model	model	NOUN
1z40ks67c0v	7	16	was	be	AUX
1z40ks67c0v	7	17	developed	develop	VERB
1z40ks67c0v	7	18	in	in	ADP
1z40ks67c0v	7	19	the	the	DET
1z40ks67c0v	7	20	1990s	1990	NOUN
1z40ks67c0v	7	21	to	to	PART
1z40ks67c0v	7	22	have	have	VERB
1z40ks67c0v	7	23	greater	great	ADJ
1z40ks67c0v	7	24	transferability	transferability	NOUN
1z40ks67c0v	7	25	and	and	CCONJ
1z40ks67c0v	7	26	reliance	reliance	NOUN
1z40ks67c0v	7	27	on	on	ADP
1z40ks67c0v	7	28	fewer	few	ADJ
1z40ks67c0v	7	29	parameters	parameter	NOUN
1z40ks67c0v	7	30	.	.	PUNCT
1z40ks67c0v	8	1	the	the	DET
1z40ks67c0v	8	2	dftb+	dftb+	ADJ
1z40ks67c0v	8	3	implementation	implementation	NOUN
1z40ks67c0v	8	4	of	of	ADP
1z40ks67c0v	8	5	scc	scc	NOUN
1z40ks67c0v	8	6	-	-	PUNCT
1z40ks67c0v	8	7	dftb	dftb	NOUN
1z40ks67c0v	8	8	allows	allow	VERB
1z40ks67c0v	8	9	for	for	ADP
1z40ks67c0v	8	10	secondand	secondand	PROPN
1z40ks67c0v	8	11	third	third	ADJ
1z40ks67c0v	8	12	-	-	PUNCT
1z40ks67c0v	8	13	order	order	NOUN
1z40ks67c0v	8	14	expansions	expansion	NOUN
1z40ks67c0v	8	15	of	of	ADP
1z40ks67c0v	8	16	the	the	DET
1z40ks67c0v	8	17	density	density	NOUN
1z40ks67c0v	8	18	fluctuations	fluctuation	NOUN
1z40ks67c0v	8	19	in	in	ADP
1z40ks67c0v	8	20	the	the	DET
1z40ks67c0v	8	21	energy	energy	NOUN
1z40ks67c0v	8	22	.	.	PUNCT
1z40ks67c0v	9	1	for	for	ADP
1z40ks67c0v	9	2	each	each	PRON
1z40ks67c0v	9	3	of	of	ADP
1z40ks67c0v	9	4	these	these	DET
1z40ks67c0v	9	5	models	model	NOUN
1z40ks67c0v	9	6	the	the	DET
1z40ks67c0v	9	7	structural	structural	ADJ
1z40ks67c0v	9	8	,	,	PUNCT
1z40ks67c0v	9	9	dynamic	dynamic	ADJ
1z40ks67c0v	9	10	,	,	PUNCT
1z40ks67c0v	9	11	and	and	CCONJ
1z40ks67c0v	9	12	spectroscopic	spectroscopic	ADJ
1z40ks67c0v	9	13	properties	property	NOUN
1z40ks67c0v	9	14	of	of	ADP
1z40ks67c0v	9	15	bulk	bulk	ADJ
1z40ks67c0v	9	16	scc	scc	ADJ
1z40ks67c0v	9	17	-	-	PUNCT
1z40ks67c0v	9	18	dftb	dftb	ADJ
1z40ks67c0v	9	19	water	water	NOUN
1z40ks67c0v	9	20	are	be	AUX
1z40ks67c0v	9	21	compared	compare	VERB
1z40ks67c0v	9	22	to	to	ADP
1z40ks67c0v	9	23	an	an	DET
1z40ks67c0v	9	24	empirical	empirical	ADJ
1z40ks67c0v	9	25	model	model	NOUN
1z40ks67c0v	9	26	,	,	PUNCT
1z40ks67c0v	9	27	spc	spc	PROPN
1z40ks67c0v	9	28	/	/	SYM
1z40ks67c0v	9	29	e	e	PROPN
1z40ks67c0v	9	30	,	,	PUNCT
1z40ks67c0v	9	31	and	and	CCONJ
1z40ks67c0v	9	32	experimental	experimental	ADJ
1z40ks67c0v	9	33	properties	property	NOUN
1z40ks67c0v	9	34	.	.	PUNCT
1z40ks67c0v	10	1	although	although	SCONJ
1z40ks67c0v	10	2	all	all	PRON
1z40ks67c0v	10	3	of	of	ADP
1z40ks67c0v	10	4	the	the	DET
1z40ks67c0v	10	5	scc	scc	ADJ
1z40ks67c0v	10	6	-	-	PUNCT
1z40ks67c0v	10	7	dftb	dftb	NOUN
1z40ks67c0v	10	8	models	model	NOUN
1z40ks67c0v	10	9	exhibit	exhibit	VERB
1z40ks67c0v	10	10	some	some	DET
1z40ks67c0v	10	11	failures	failure	NOUN
1z40ks67c0v	10	12	characteristic	characteristic	ADJ
1z40ks67c0v	10	13	of	of	ADP
1z40ks67c0v	10	14	the	the	DET
1z40ks67c0v	10	15	parent	parent	NOUN
1z40ks67c0v	10	16	density	density	NOUN
1z40ks67c0v	10	17	functional	functional	ADJ
1z40ks67c0v	10	18	theory	theory	NOUN
1z40ks67c0v	10	19	,	,	PUNCT
1z40ks67c0v	10	20	the	the	DET
1z40ks67c0v	10	21	third	third	ADJ
1z40ks67c0v	10	22	-	-	PUNCT
1z40ks67c0v	10	23	order	order	NOUN
1z40ks67c0v	10	24	models	model	NOUN
1z40ks67c0v	10	25	are	be	AUX
1z40ks67c0v	10	26	the	the	DET
1z40ks67c0v	10	27	best	good	ADJ
1z40ks67c0v	10	28	models	model	NOUN
1z40ks67c0v	10	29	.	.	PUNCT
1z40ks67c0v	11	1	the	the	DET
1z40ks67c0v	11	2	experimental	experimental	ADJ
1z40ks67c0v	11	3	-	-	PUNCT
1z40ks67c0v	11	4	density	density	NOUN
1z40ks67c0v	11	5	third	third	ADJ
1z40ks67c0v	11	6	-	-	PUNCT
1z40ks67c0v	11	7	order	order	NOUN
1z40ks67c0v	11	8	model	model	NOUN
1z40ks67c0v	11	9	best	well	ADV
1z40ks67c0v	11	10	reproduces	reproduce	VERB
1z40ks67c0v	11	11	the	the	DET
1z40ks67c0v	11	12	liquid	liquid	ADJ
1z40ks67c0v	11	13	structure	structure	NOUN
1z40ks67c0v	11	14	and	and	CCONJ
1z40ks67c0v	11	15	rotational	rotational	ADJ
1z40ks67c0v	11	16	dynamics	dynamic	NOUN
1z40ks67c0v	11	17	,	,	PUNCT
1z40ks67c0v	11	18	while	while	SCONJ
1z40ks67c0v	11	19	the	the	DET
1z40ks67c0v	11	20	ambient	ambient	ADJ
1z40ks67c0v	11	21	-	-	PUNCT
1z40ks67c0v	11	22	density	density	NOUN
1z40ks67c0v	11	23	third	third	ADJ
1z40ks67c0v	11	24	-	-	PUNCT
1z40ks67c0v	11	25	order	order	NOUN
1z40ks67c0v	11	26	model	model	NOUN
1z40ks67c0v	11	27	best	well	ADV
1z40ks67c0v	11	28	reproduces	reproduce	VERB
1z40ks67c0v	11	29	the	the	DET
1z40ks67c0v	11	30	diffusion	diffusion	NOUN
1z40ks67c0v	11	31	and	and	CCONJ
1z40ks67c0v	11	32	infrared	infrared	ADJ
1z40ks67c0v	11	33	line	line	NOUN
1z40ks67c0v	11	34	shape	shape	NOUN
1z40ks67c0v	11	35	.	.	PUNCT